Data quality metrics extracted from 8fuo.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.2",
  "uuid": "f5cf8cda85361dc9fb6ed94e2349ea2b",
  "space_group_name": "I 2 2 2",
  "unit_cell": {
    "a": 84.780,
    "b": 150.570,
    "c": 234.719,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.73800],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [79.74,2.43],
    "number_observations_unique": 55039,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 18.3
      },
      {
        "type": "Completeness",
        "value": 96.7
      },
      {
        "type": "Redundancy",
        "value": 11.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.52,2.43],
      "number_observations_unique": 5260,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 93.9
        },
        {
          "type": "Redundancy",
          "value": 10.3
        },
        {
          "type": "CC(1/2)",
          "value": 0.81
        }
      ]
    }
  ]

}
  

Table 1 generated from MXLIMS-JSON (via JavaScript):


Binned data generated from MXLIMS-JSON (via JavaScript):